SCHEMBL14249658

SCHEMBL14249658

OCC1(O)CCN(c2nc(-c3ccc(N4CCOCC4)nc3)c3ncn(C4CCCCO4)c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.49
PIK3CA P42336 5/20 0.42
MTOR P42345 1/20 0.42
PIK3R1 P27986 4/20 0.38
HDAC1 Q13547 12/20 0.38
ATR Q13535 1/20 0.37
HDAC3 O15379 9/20 0.37
HDAC4 P56524 9/20 0.37
HDAC7 Q8WUI4 9/20 0.37
HDAC2 Q92769 9/20 0.37
HDAC10 Q969S8 9/20 0.37
HDAC11 Q96DB2 9/20 0.37
HDAC8 Q9BY41 9/20 0.37
HDAC6 Q9UBN7 9/20 0.37
HDAC9 Q9UKV0 9/20 0.37
HDAC5 Q9UQL6 9/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14249703 0.92 FLT3 (0.51) FLT3PIK3CAMTORPIK3R1HDAC1
SCHEMBL14249330 0.86 FLT3 (0.42) FLT3PIK3CAMTORPIK3R1HDAC1
SCHEMBL14248878 0.81 YTHDC1 (0.52) FLT3ATR
SCHEMBL14249161 0.75 PIK3CA (0.42) PIK3CAMTORPIK3R1ATR
SCHEMBL12910252 0.75 FLT3 (0.56) FLT3PIK3CAMTORHDAC1HDAC3
SCHEMBL14250350 0.75 FLT3 (0.43) FLT3PIK3CAMTORPIK3R1HDAC1
SCHEMBL14251147 0.74 FLT3 (0.42) FLT3
SCHEMBL14316114 0.74 YTHDC1 (0.56) FLT3PIK3CAMTORATR
SCHEMBL14296923 0.73 FLT3 (0.38) FLT3PIK3CA
SCHEMBL14325243 0.72 FLT3 (0.44) FLT3HDAC1ATRHDAC3HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012172043-A1 PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS LABORATOIRE BIODIM (FR) 2012-12-20 WO disclosed
WO-2012172043-A1 PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS LABORATOIRE BIODIM (FR) 2012-12-20 WO disclosed